1-[(5-nitrothiophen-2-yl)carbonylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(5-nitrothiophen-2-yl)carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[(5-nitrothiophene-2-carbonyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(5-nitrothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[(5-nitrothiophene-2-carbonyl)amino]cycloheptanecarboxylic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c16-11(9-5-6-10(21-9)15(19)20)14-13(12(17)18)7-3-1-2-4-8-13/h5-6H,1-4,7-8H2,(H,14,16)(H,17,18)